| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 15 | No |
Popular Name: Butyl p-toluenesulfonate Butyl p-toluenesulfonate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 778-28-9 , [778-28-9]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.09 | -2.75 | -8.6 | 0 | 3 | 0 | 43 | 228.313 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 170 - 172 (p=10 torr) | Acros Organics |
| BP | 172 / 10 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | EP0015036A1; EP0026281A1; EP0029136A2; EP0031253A1; EP0050749A2; EP0056574A1; EP0089908A1; EP0110252A2; EP0210139A2; EP0246091A2; EP0246091B1; EP0254241A1; EP0266708A1; EP0266708B1; EP0313994A1; EP0313994B1; EP0318294A2; EP0318294B1; EP0335980A1; EP033598 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
